N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C20H23N5OS — CID 7908480

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)[C@H](CNC(=O)CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H23N5OS/c1-25(2)17(15-9-5-3-6-10-15)13-21-18(26)14-27-20-22-19(23-24-20)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,21,26)(H,22,23,24)/t17-/m1/s1
InChIKeyPQOMDAOEJWIEFN-QGZVFWFLSA-N
MW381.51 g/mol
LogP2.98
Rot. Bonds8

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7908480) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7908480
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)[C@H](CNC(=O)CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H23N5OS/c1-25(2)17(15-9-5-3-6-10-15)13-21-18(26)14-27-20-22-19(23-24-20)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,21,26)(H,22,23,24)/t17-/m1/s1
InChIKeyPQOMDAOEJWIEFN-QGZVFWFLSA-N
XLogP2.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8848712
N-(2-methylpropylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4045344
N-(2-phenylethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3299041
[(1S)-2-[[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7538340
[(1R)-2-[[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7538338
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7818724
(2R)-N-ethyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide
CID 8848686
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 3922681
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7901436
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5177686
2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 41133422
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]acetamide
CID 7398382

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7908480) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C)[C@H](CNC(=O)CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PQOMDAOEJWIEFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-25(2)17(15-9-5-3-6-10-15)13-21-18(26)14-27-20-22-19(23-24-20)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,21,26)(H,22,23,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 381.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7908480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).